| Computational Prediction of Kinetic Rate Constants |
Feb-2009 |
27 pages |
| Authors:
Mark Ponton; Rodney J Bartlett; ACES QC LC GAINESVILLE FL
|
 | The objective of this STTR has been to develop tools to make the evaluation of rate constants for gas phase reactions routine for many modest sized molecules. such quantities are critical input to atmospheric and combustion models. they also provide critical information to designing procedures to destroy stock piles of nerve agents, and other waste products. However, it is often very difficult to experimentally measure such rate constants, making 'predictive' ... |
|
| Computational Prediction of Kinetic Rate Constants |
30 NOV 2006 |
20 pages |
| Authors:
Dmitry A. Altshuler; Denis M. Reidy; SCIENTIFIC APPLICATIONS AND RESEARCH ASSOCIATES INC CYPRESS CA
|
| Report developed under SBIR/STTR contract for Topic #AF05-T010. The purpose of these efforts was to develop seamless, easy to use, efficient code to calculate electronic wave functions and potential energy surfaces of molecules and predict kinetic rate constants for reactions a priori. Given that an already existing software package, called POLYRATE, contained most of the capabilities desired for this Phase I, early on it was proposed to achieve the required ... |
|
| High Dielectric Constant Oxides for Advanced Micro-Electronic Applications |
29 NOV 2006 |
22 pages |
| Authors:
Roderick A. Devine; NEW MEXICO UNIV ALBUQUERQUE CENTER FOR HIGH TECHNOLOGY MATERIALS
|
| A series of mixed oxide compounds have been manufactured and studied with a view to assessing their suitability for applications in advanced microelectronics: ZrO2, Ta2O5, LaAlO3, Sm2O3, Pr2O3, Nd2O3, TiO2, Ti(x)Si(1-x)O2. Although each material has distinct advantages, particularly in terms of the magnitude of the dielectric constant, none of those studied can satisfy all of the requirements for thin films on Si. Consideration of the situation likely to arise under ... |
|
| Computational Prediction of Kinetic Rate Constants |
09 JUN 2006 |
28 pages |
| Authors:
Rodney J. Bartlett; John Barker; James M. Ponton; Neil Ostlund; Ajith Perera; ACES QC LC GAINESVILLE FL
|
| This is the Final Technical Report / Final Phase I Summary Report for the STTR on topic #AF05-T010 entitled Computational Prediction of Kinetic Rate Constants. In Phase I it has been shown that the combination of electronic structure offered by the ACES program system and the user-friendly interface of HyperChem can be combined together to provide the data required from quantum chemistry to provide thermal rate constants for molecules. The ... |
|
| Rate Constants and Branching Ratios for the Dissociative Recombination of CO(2)+ |
10 JUN 2005 |
5 pages |
| Authors:
A. A. Viggiano; A. Ehlerding; F. Hellberg; R. D. Thomas; V. Zhaunerchyk; W. D. Geppert; H. Montaigne; M. Larsson; M. Kaminska; STOCKHOLM UNIV (SWEDEN)
|
| The overall rate constant of the dissociative recombination of CO(2)+ was first measured in 1967. Since then, the room-temperature rate was measured several times and the values obtained varied in the narrow range of (3.1-4.0) x 10(exp -7) cu cm s(exp -1). Recently, the rate was measured at the Aarhus storage ring in Denmark (ASTRID) and found to be larger, 6.5 x 10(exp -7) cu cm s(exp -1) at 300 ... |
|
| Rate Constants and Branching Ratios for the Dissociative Recombination of C(3)D(7)+ and C(4)D(9)+ |
19 APR 2005 |
5 pages |
| Authors:
M. Larsson; A. Ehlerding; W. D. Geppert; F. Hellberg; S. Kalhori; F. Oesterdahl; G. Angelova; J. Semaniak; O. Novotny; STOCKHOLM UNIV (SWEDEN)
|
| The dissociative recombination of C(3)D(7)+ was measured in the ion storage ring CRYRING. The higher mass separation offered from the deuterated species provided more accurate branching ratios than the data obtained previously for C(3)H(7)+. We obtained rate constants of 2.3 + or - 0.4 x 10(exp -7) cu cm s(exp -1) for C(3)D(7)+ and 5.8 + or - 1.1 x 10(exp -7) for C(4)D(9)-. |
|
| Reactions of PO(x)Cl(y)- Ions with H and H(2) from 298 to 500 K |
24 FEB 2005 |
6 pages |
| Authors:
Anthony J. Midey; Thomas M. Miller; Robert A. Morris; A. A. Viggiano; AIR FORCE RESEARCH LAB HANSCOM AFB MA SPACE VEHICLES DIRECTORATE
|
| Rate constants and product branching ratios for PO(x)Cl(y)- ions reacting with H and H(2) were measured in a selected ion flow tube from 298 to 500 K. PO(2)Cl-, PO(2)Cl(2)- , POCl(2)-, and POCl(3)- were all unreactive with H(2), having a rate constant with an upper limit of |
|
| Computing Normalizing Constants for Finite Mixture Models via Incremental Mixture Importance Sampling (IMIS) |
30 JUL 2003 |
33 pages |
| Authors:
Russell J. Steele; Adrian E. Raftery; Mary J. Emond; WASHINGTON UNIV SEATTLE DEPT OF STATISTICS
|
| We propose a method for approximating integrated likelihoods in finite mixture models. We formulate the model in terms of the unobserved group memberships, z, and make them the variables of integration. The integral is then evaluated using importance sampling over the z. We propose an adaptive importance sampling function which is itself a mixture, with two types of component distributions, one concentrated and one diffuse. The more concentrated type of ... |
|
| NRL Plasma Formulary |
2002 |
67 pages |
| Authors:
David Book; J. D. Huba; NAVAL RESEARCH LAB WASHINGTON DC PLASMA PHYSICS DIV
|
|
| Porosity Effects on the Elastic Constants of Five Varieties of Silicon Carbide Ceramic |
NOV 2001 |
38 pages |
| Authors:
Peter Bartkowski; Stephen Spletzer; ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD
|
| Silicon carbide is used in armor applications for its ballistic performance and relative low cost As such, many types of the material have been developed in an attempt to optimize its properties. The scope of this work encompasses a comparison of the static properties and microstructure of five different silicon carbide materials. Material elastic constants are determined through nondestructive test methods. Elemental composition, microstructure, and porosity effects of the materials ... |
|
| SOFA Software Progress Report |
MAR 2000 |
11 pages |
| Authors:
|
| The International Astronomical Union (IAU) set up the Standards of Fundamental Astronomy (SOFA) initiative at the 1994 General Assembly to promulgate an authoritative set of fundamental astronomy constants and algorithms. At the subsequent General Assembly in 1997, the appointment of a Reviewing Board and the selection of a site for the SOFA Center (the outlet for SOFA products) were announced. The time since then has been spent developing the specifications ... |
|
| NRL (Naval Research Laboratory) Plasma Formulary. Revision |
2000 |
67 pages |
| Authors:
David Book; NAVAL RESEARCH LAB WASHINGTON DC PLASMA PHYSICS DIV
|
|
| Inter-Level Dielectrics with Low Dielectric Constants |
31 MAR 1998 |
|
| Authors:
Leonard J. Buckley; Arthur W. Snow; James R. Griffith; Mark Ray; DEPARTMENT OF THE NAVY WASHINGTON DC
|
 | A metallization is coated with a network polymer. The network polymer may he either a cross-linked polyfluorinated polyallylether-polyhydromethylsiloxane copolymer or a network polymer formed from cross-linked fluoromethylene cyanate ester monomers. These polymer networks are resistant to the diffusion of a metallization, such as copper, therethrough. |
|
| Anodization of Copper Microelectrodes in a Complexing Medium: Determination of Stability Constants of Products |
25 JUL 95 |
43 pages |
| Authors:
James T. Orr; Kazimierz Wikiel; Janet G. Osteryoung; NORTH CAROLINA STATE UNIV AT RALEIGH
|
| A model is presented for the anodization of a metal electrode by normal pulse voltammetry in complexing medium. The analysis is based on analytical expressions for current during normal pulse voltammetry at a microelectrode. It is applied to the anodization of a copper microdisk electrode in aqueous chloride solutions. Optimization of the fit of the model to the data yields the overall formation constants of CuCl (K1) and CuCl2 (beta ... |
|
| Radiative Lifetime and Quenching Rate Constants of PF(b(1) Sigma+) and Tests for an Electronic to Vibrational Energy Transfer Quenching Mechanism |
22 DEC 94 |
15 pages |
| Authors:
D. W. Setser; KANSAS STATE UNIV MANHATTAN
|
| Methods were developed to generate and isolate the PF(X(3)sigma, a(1) delta, b(1)sigma+, A(3)pi and d(1)pi) states in a flow reactor. Radiative lifetimes and total removal constants at 300 K have been measured. Except for halogens, the PF(b(1)sigma+) state is stable to chemical reaction. The other PF states seem to participate in chemical reactions at 300 K. Preliminary experiments were done with PCl(b(1)sigma+) and NCl(b(1)sigma+) to establish their radiative lifetimes. The ... |
|
| Fluorinated Resins with Low Dielectric Constant. |
08 MAR 1994 |
|
| Authors:
James R. Griffith; Henry S. Hu; DEPARTMENT OF THE NAVY WASHINGTON DC
|
| A highly fluorinated benzene compound is reacted with acryloyl chloride to yield a fluorinated liquid product which is used to impregnate a reinforcing structure. Upon impregnation, the liquid material is polymerized at about 55 deg C. to produce a reinforced polymeric structure, which can be a circuit board. The polymer has dielectric constant of about 2. 1, which is very low compared to the polymers used presently. |
|
| A Constant-Depth Scratch Test for the Measurement of Adhesion at Film- Substrate Interfaces |
MAR 94 |
93 pages |
| Authors:
E. D. Secor; NAVAL POSTGRADUATE SCHOOL MONTEREY CA
|
| This thesis reviews the development of the constant-depth Scratch Test for determining the adhesive shear strength of thin film-substrate interfaces, and proposes refinements to the theoretical analyses and experimental approach which were developed earlier. Modifications were made to incorporate a change in indenter orientation (for a Vicker's pyramidal indenter) as a measure to minimize damage during scratching. Additionally, the model was expanded to include the use of a conical indenter. ... |
|
| A Semiclassical Reactive Flux Method for the Calculation of Condensed Phase Activated Rate Constants |
11 JAN 94 |
33 pages |
| Authors:
Diane E. Sagnella; Jianshu Cao; Gregory A. Voth; PENNSYLVANIA UNIV PHILADELPHIA DEPT OF CHEMISTRY
|
| A semiclassical reactive flux algorithm for calculating thermally activated rate constants is presented which is based on a semiclassical transition state theory due to Chapman, Garrett, and Miller J. Chem. Phys. 63 (1975) 2710. This reactive flux technique, when combined with the semiclassical TST, enables one to describe dynamical recrossings of the transition state on the same footing as tunneling effects. Most importantly, the method is readily applied to nonlinear ... |
|
| Fast Fourier Transforms of Piecewise Constant Functions |
SEP 93 |
21 pages |
| Authors:
Eugene Sorets; YALE UNIV NEW HAVEN CT DEPT OF COMPUTER SCIENCE
|
| We present an algorithm for the evaluation of the Fourier transform of piecewise constant functions of two variables. The algorithm overcomes the accuracy problems associated with computing the Fourier transform of discontinuous functions; in fact, its time complexity is O(log(3)(1/epsilon)N(2) + log(2)(1/epsilon)(N(2)log N), where epsilon is the accuracy and N is the size of the problem. The algorithm is based on the Lagrange interpolation formula and the Green's theorem, which ... |
|
| Quenching Rate Constants of NF(A1 Delta) by N2F4, NF3, NF(X), SiF4, HNCO and NCO at Room Temperature |
1993 |
8 pages |
| Authors:
K. Du; D. W. Setser; KANSAS STATE UNIV MANHATTAN DEPT OF CHEMISTRY
|
| A flow reactor has been used to measure the room temperature rate constants for quenching of NF(a(sub1) Delta) by molecules containing the NF bond and by SiF4, HNCO, and NCO. The quenching rate constants decrease in the series NF(X), N2F4, NF2, and NF3. The rate constant for NF(X) is (3 + or - 1) x 10(exp -10) cu cm/molecule/s, which is smaller than the bimolecular self-destruction rate constant of NF(a). ... |
|
| Fluorinated Resins With Low Dielectric Constant. |
26 FEB 1992 |
|
| Authors:
James R. Griffith; Henry S. Hu; DEPARTMENT OF THE NAVY WASHINGTON DC
|
| A highly fluorinated benzene compound is reacted with acryloyl chloride to yield a fluorinated liquid product which is used to impregnate a reinforcing structure. Upon impregnation, the liquid material is polymerized at about 55 deg C to produce a reinforced polymeric structure, which can be a circuit board. The polymer has dielectric constant of about 2.1, which is very low compared to the polymers used presently. |
|
| NRL (Naval Research Laboratory) Plasma Formulary. Revised |
87 |
|
| Authors:
David L. Book; NAVAL RESEARCH LAB WASHINGTON DC
|
| CONTENTS; Numerical and Alegbraic; Vector Identities; Differential Operations in Curvilinear Coordinates; Dimensional Systems SSI) Nomenclature; Metric Prefixes, Physical Constants (cgs); Formula Conversion;. Maxwell's Equations; Electricity and Magnetism; Electromagnetic Frequency/Wavelength Bands; AC Circuits; Dimensionless Numbers of Fluid Mechanics; Shocks; Fundamental Plasma Parameters; Plasma Dispersion Function; Collisions and Transport; Approximate Magnitudes in Some Typical Plasmas; Ionospheric Parameters; Solar Physics Parameters; Thermonumclear Fusion; Relativistic Electron Beams; Beam Instabilities; Lasers; Atomic Physics and Radiation. ... |
|
| The Reliability of Standard Rate Constants for Rapid Electrochemical Reactions |
APR 1984 |
|
| Authors:
T. Gennett; M. J. Weaver; PURDUE UNIV LAFAYETTE IN DEPT OF CHEMISTRY
|
| A method is outlined for testing the reliability of standard rate constants for rapid electrode reactions evaluated using electrochemical perturbation techniques. This entails monitoring the response of the apparent values of rate constants to systematic alterations of the double-layer structure caused by the addition of specifically adsorbed anions. These rate responses are compared with those observed at the same potential for structurally similar, yet irreversible, reactions for which reliable rate ... |
|
| The Transfer of Atoms, Ions and Molecular Groups in Solution. Part 3. Monte Carlo Methods for the Evaluation of Rate Constants |
31 OCT 1983 |
|
| Authors:
P. P. Schmidt; OAKLAND UNIV ROCHESTER MICH DEPT OF CHEMISTRY
|
| This paper contains a report of investigations into the application of the transition state theory to atom, ion and molecular group transfers. Attention is concentrated on the formulation of Monte Carlo methods of simulation. It is found possible to derive forms for the rate constant in the diabatic and adiabatic limits which immediately suggest the manner in which Monte Carlo averages should be carried out. The method is illustrated by ... |
|
| Dynamic Elastic Constant Determination via Measurement of the Acoustic Field Scattered by a Spherical Elastomer: Theory |
15 SEP 1982 |
|
| Authors:
Jean C. Piquette; NAVAL RESEARCH LAB WASHINGTON DC
|
| A technique is presented whereby dynamic elastic constants may be calculated by solving the inverse scattering problem of an infinite plane wave incident on a spherical elastomer. A least-squares approach is used to find the best values for the elastic constants that are consistent with measured scattered pressures. Relationships are provided that allow approximate calculation of the bulk and shear moduli to be performed using only the first few scattering ... |
|
| Shock-Induced Chemical Reactions in Condensed Matter |
AUG 1982 |
|
| Authors:
George E. Duvall; Stephen A. Sheffield; Kendal M. Ogilvie; C. Robert Wilson; Paul M. Bellamy; WASHINGTON STATE UNIV PULLMAN DEPT OF PHYSICS
|
| Some background information is given on fast reactions, detonations, shock waves. Research at Washington State University on liquid CS2 is summarized. Techniques for and results of measurements of characteristic reaction times are given in Section IV. A double shock method was used, a double wave observed, and times ranged from less than 10 nsec at 150 kb to several hundred at 80-90 kbars. An induction time was observed in some ... |
|
| Rate Constant of the OH + H2O2 yield HO2 + H2O Reaction |
JUL 1982 |
|
| Authors:
Mario J. Molina; Lusia T. Molina; Craig A. Smith; John J. Lamb; CALIFORNIA UNIV IRVINE DEPT OF CHEMISTRY
|
| Absolute rate constants for the reaction OH + H2O2 HO2 + H2O have been measured using the flash photoysis resonance fluorescence technique over the temperature range 241 to 413 K and at 1 atm helium. H2O2 concentrations were measured by ultra violet and infrared absorption spectrophotometry. The rate constant at 294 K was found to be K sub 1 = 1.8 + or - 0.3 x 10 to the minus ... |
|
| Elastic Constants of Quartz |
MAY 1982 |
|
| Authors:
Alfred Kahan; ROME AIR DEVELOPMENT CENTER GRIFFISS AFB NY
|
| The formalism describing the thickness vibrations of anisotropic piezoelectric infinite plates is reviewed. The mathematical treatment is specialized to crystallographically doubly-rotated quartz. Explicit expressions for the piezoelectrically 'stiffened' elastic constants are derived. The validity of currently accepted elastic constant values is discussed. It is concluded that there is a need to redetermine the constants and their temperature coefficients on a geometrically consistent sample set using piezoelectric excitation. (Author) |
|
| Stable Equilibria with Variable Diffusion |
MAR 1982 |
|
| Authors:
Michel Chipot; Jack K. Hale; BROWN UNIV PROVIDENCE RI LEFSCHETZ CENTER FOR DYNAMICAL SYSTEMS
|
| For a scalar nonlinear parabolic equation in one space dimension with homogeneous Neumann boundary conditions, criteria are given on the diffusion coefficient to ensure that the stable equilibrium solutions are constant functions regardless of the nonlinearities. The Dirichlet problem is also discussed. (Author) |
|
| Nonadiabatic Nonisobaric Propagation of a Planar Premixed Flame: Constant-Volume Enclosure |
1982 |
|
| Authors:
S. F. Fink; F. E. Fendell; W. B. Bush; TRW SYSTEMS GROUP REDONDO BEACH CA
|
|
| Canonical Unified Statistical Model. Classical Mechanical Theory and Applications to Collinear Reactions |
17 SEP 1981 |
|
| Authors:
Bruce C. Garrett; Donald G. Truhlar; CHEMICAL DYNAMICS CORP COLUMBUS OH
|
|
| Temperature Dependence of the Activation Energy: D + H2 |
15 SEP 1981 |
|
| Authors:
Normand C. Blais; Donald G. TGruhlar; Bruce C. Garrett; CHEMICAL DYNAMICS CORP COLUMBUS OH
|
|
| A Friedland-Like Filtering Technique for Estimating Piecewise Constant Controls in Discrete Linear Stochastic Systems |
SEP 1981 |
|
| Authors:
Harold L. Stalford; PRACTICAL SCIENCES INC CARLISLE MA
|
| We consider discrete linear stochastic processes in which the control variables take unknown jumps at unknown times and remain constant between jumps. A GLR algorithm is presented for detecting the jump time. The advent of the tri- filter technique together with the reinitialization procedure makes it unnecessary to augment the state x with the control u and to use augmented state filters in the estimation of state and piecewise constant ... |
|
| Optical Constants of Boron Carbide |
14 AUG 1981 |
130 pages |
| Authors:
James L. Lauer; RENSSELAER POLYTECHNIC INST TROY N Y DEPT OF MECHANICAL ENGINEERING
|
| The optical constants n and k have been determined in the 700 - 1200 per cm wavenumber region for a boron carbide flat of compressed 2 micrometer diameter particles by the polarized reflection method. A broad absorption band has been found near 1050 per cm, where k reached values of 1 to 2 and n of lower than 1.5. The scatter of the data points was large, probably because of ... |
|
| Determination of Optical Constants from Extinction Measurements. |
APR 1981 |
|
| Authors:
M. E. Milham; R. H. Frickel; J. F. Embury; D. H. Anderson; ARMY ARMAMENT RESEARCH AND DEVELOPMENT COMMAND ABERDEEN PROVING GROUND MD CHEMICAL SYSTEMS LAB
|
| Traditional methods of determining the optical constants of particulate materials by means of transmission, absorption, and reflectance measurements are known to be inherently inaccurate. The use of the Lorenz-Mie formalism to derive the optical constants from extinction data overcomes the problems associated with the traditional methods; but, as currently practiced, this method has severe limitations. In this paper, we report an entirely new approach to determining the optical constants of ... |
|
| Evaluated Kinetic Data for High Temperature Reactions. Volume 4. Homogeneous Gas Phase Reactions of Halogen- and Cyanide-Containing Species, |
1981 |
|
| Authors:
D. L. Baulch; J. Duxbury; S. J. Grant; D. C. Montague; NATIONAL STANDARD REFERENCE DATA SYSTEM
|
| The available kinetic data for 300 homogeneous gas phase reactions involving halogens, the cyanide radical and their compounds have been compiled and critically evaluated. For each reaction, relevant thermodynamic data, a table of measured rate constants, a discussion of the data, and a comprehensive bibliography are presented. Wherever possible the preferred rate parameters are given with their associated error limits and temperature ranges. A table summarising the recommended values is ... |
|
| Dielectric Constant and Loss Data. Part IV |
DEC 1980 |
100 pages |
| Authors:
William B. Westphal; MASSACHUSETTS INST OF TECH CAMBRIDGE LAB FOR INSULATION RESEARCH
|
| The main body of this report lists dielectric constant and loss data on materials measured in this laboratory in the period 1 July 1977 through 15 May 1980 together with measurements techniques and calculations. The index following the data section is intended to be a complete reference to dielectric measurement data of this laboratory to date. (Author) |
|
| Rotor Dynamic Inflow Derivatives and Time Constants from Various Inflow Models. |
DEC 1980 |
|
| Authors:
Dale M. Pitt; ARMY TROOP SUPPORT AND AVIATION MATERIEL READINESS COMMAND ST LOUIS MO
|
| A linear, unsteady theory is developed that related transient rotor loads (thrust, roll moment, and pitch moment) to the overall transient response of the rotor induced-inflow field. The relationships are derived from an unsteady, actuator-disc theory; and some are obtained in closed form. The theory is used to determine the effects of lift distribution and shaft angle-of-attack on the said relationships. Also, two different assumptions are used in the unsteady ... |
|
| Rate Constants for Formation of NO in Vibrational Levels V=2 through 7 from the Reaction N(4S)+O2 yields NO+O |
29 OCT 1980 |
|
| Authors:
A. Rahbee; J. J. Gibson; AIR FORCE GEOPHYSICS LAB HANSCOM AFB MA
|
|
| Overwater Optical Scintillation Measurements during MAGAT-1980. |
AUG 1980 |
|
| Authors:
E. C. Crittenden Jr.; E. A. Milne; A. W. Cooper; G. W. Rodeback; S. H. Kalmbach; NAVAL POSTGRADUATE SCHOOL MONTEREY CA
|
| Overwater measurements have been made of the turbulence structure constant for index of refraction, C sub n squared, by means of scintillation for comparison with predictions of C sub n squared based on meteorological measurements carried out at the same time, during the 'Monterey Aerosol Generation and Transport' (MAGAT-1980) experiment. Scintillation was chosen as the optical measurement because it gives heaviest weight to points on the optical path near the ... |
|
| Time Constraints on Measuring Building R-Values, |
JUN 1980 |
|
| Authors:
Stephen N. Flanders; COLD REGIONS RESEARCH AND ENGINEERING LAB HANOVER NH
|
| This report discusses the time constraints on measuring the thermal resistance (R-value) of building components. Temperature changes on either side of a building component perturb measurement accuracy. Long measurement times and measurement times corresponding to a consistent diurnal cycle can be satisfactory; however, individual temperature changes cause significant error for shorter measurement periods. This report shows how to scale the thermal properties of individual constituent materials in a building element ... |
|
| Refractive Index of Alkaline Earth Halides and Its Wavelength and Temperature Derivatives, |
1980 |
|
| Authors:
H. H. Li; NATIONAL STANDARD REFERENCE DATA SYSTEM
|
| Available data on the refractive index and its temperature derivative for alkaline earth halides were exhaustively surveyed, compiled, and analyzed. The most probable values of the refractive index at 293 K for the transparent region were generated for the materials for which experimental data were sufficiently abundant and reliable. Provisional values were also generated for the wavelength regions where available data were less abundant. Reasonable estimations of refractive index for ... |
|
| Microwave Spectra of Molecules of Astrophysical Interest. XVIII. Formic Acid, |
1980 |
|
| Authors:
Edmond Willemot; Didier Dangoisse; Nicole Monnanteuil; Jean Bellet; NATIONAL STANDARD REFERENCE DATA SYSTEM
|
| The available data on the microwave spectrum of formic acid are critically reviewed for information applicable to radioastronomy. Molecular data such as the derived rotational constants, centrifugal distortion constants and electric dipole moment are tabulated. The observed rotational transitions are presented for the astronomically interesting isotopic forms. Calculated rotational transitions up to 300 GHz are presented for the ground vibrational state of H12C16O16OH, H12C16O16OD, D12C16O16OH and H13C16O16OH. Some observed transitions ... |
|
| Rate Constants for Reactions of Inorganic Radicals in Aqueous Solution, |
JUN 1979 |
|
| Authors:
Alberta B. Ross; Pedatsur Neta; NATIONAL STANDARD REFERENCE DATA SYSTEM
|
| Rate constants have been compiled for reactions of various transient inorganic radicals produced by radiolysis or photolysis in aqueous solution. Data are included for the carbonate radical, sulfate radical, phosphate radical, nitrate radical and other nitrogen, sulfur and selenium-containing radicals, and the halide and pseudohalide radicals Cl2, Br2, I2 and (SCN)2. The radicals react with other inorganic ions as well as aliphatic, aromatic and heterocyclic compounds. (Author) |
|
| Microscopic Rate Constants for D + F2, |
1979 |
|
| Authors:
D. C. Tardy; S. Bittenson; J. Wanna; IOWA UNIV IOWA CITY DEPT OF CHEMISTRY
|
| The vibrational energy distributions resulting from exoergic bimolecular exchange reactions of the type: A + BC yields - AB + C have been successfully determined by the Chemiluminescence Techniques. Specifically, nascent population distributions have been obtained using the Arrested Relaxation (AR) method in which the reaction takes place in a low pressure (< 1 micron), cold wall, fast pumping speed environment. Although the AR method has produced valuable information pertaining ... |
|
| Microwave Spectra of Molecules of Astrophysical Interest. XIII. Cyanoacetylene, |
1978 |
|
| Authors:
W. J. Lafferty; F. J. Lovas; NATIONAL STANDARD REFERENCE DATA SYSTEM
|
| The microwave spectrum of cyanoacetylene is critically for information applicable to radio astronomy. Molecular data such as the derived rotational constants, centrifugal distortion parameters, hyperfine coupling constants, electric dipole moment and molecular structure are tabulated. The observed rotational transitions are presented for the astronomically interesting isotopic forms and low-lying vibrational states of cyanoacetylene. Calculated rotational transitions up to 300 GHz are presented for the ground vibrational state the vibrationally excited ... |
|
| Temperature Dependence of the Dielectric Constant of Quartz Polymide. |
DEC 1977 |
|
| Authors:
James W. Battles; Karl D. Kuehn; NAVAL WEAPONS CENTER CHINA LAKE CALIF
|
| A doppler generator was used to measure the complex dielectric constant of quartz polymide at 35 GHz from room temperature to 840 F (450 C). (Author) |
|
| Rate Constants for Elementary Steps in Hydrocarbon Oxidation, |
OCT 1977 |
|
| Authors:
Roy R. Baldwin; Joan P. Bennett; Raymond W. Walker; HULL UNIV (ENGLAND) DEPT OF CHEMISTRY
|
| A review is given of the four main types of reaction which are important in determining the distribution of products in the oxidation of hydrocarbons: (a) free-radical attack on the hydrocarbon RH; (b) decomposition of the radical R by C-C homolysis; (c) reaction of R radical with O2 to form the conjugate alkene; (d) reaction of R radical with O2 to give O-heterocycles and other oxygenated products. Rate constants for ... |
|
| Elastic Properties of Zinc: A Compilation and a Review, |
1977 |
|
| Authors:
H. M. Ledbetter; NATIONAL STANDARD REFERENCE DATA SYSTEM
|
| The elastic constants of zinc are compiled and reviewed; one hundred references are cited. The included elastic constants are: Young's modulus, shear modulus, bulk modulus, compressibility, Poisson's ratio, second-order single-crystal elastic stiffness and compliances, and third-order elastic stiffness. Temperature and elastic-anisotropy effects are also reviewed. Other topics are: sound velocities, elastic Debye temperature, Cauchy relationships, elastic stability, pressure effects, and theoretical studies. New polycrystalline data are computed from single-crystal data ... |
|
| Solvent Roles in Chemical Reactions. |
10 NOV 1975 |
|
| Authors:
C. Gardner Swain; MASSACHUSETTS INST OF TECH CAMBRIDGE DEPT OF CHEMISTRY
|
|
Reports by Keyword(s)
*CONSTANTS
